- Tytuł:
- Influence of addition of carbon nanotubes on rheological properties of selected liquid lubricants - a computer simulation study
- Autorzy:
-
Chopra, Anjali
Winczewski, Szymon - Powiązania:
- https://bibliotekanauki.pl/articles/1954594.pdf
- Data publikacji:
- 2020
- Wydawca:
- Politechnika Gdańska
- Tematy:
-
nanotechnology
tribology
lubricants
rheology
propylene glycol
carbon nanotubes
non-equilibrium molecular dynamics
nanotechnologia
tribologia
smary
reologia
glikol propylenowy
nanorurki
nierównowagowa dynamika molekularna - Opis:
- This work is motivated by the improvement of anti-friction properties of lubricants by addition of CNTs proved experimentally in literature. In particular, a methodology is developed to compute the shear viscosity of liquid lubricants (Propylene Glycol) based on Molecular Dynamics simulation. Non-Equilibrium molecular dynamics (NEMD) approach is used with a reactive force field ReaxFF implemented in LAMMPS. The simulations are performed using the canonical (NVT) ensemble with the so-called SLLOD algorithm. Couette flow is imposed on the system by using Lees-Edwards periodic boundary conditions. Suitable parameters such as simulation time and imposed shear velocity are obtained. Using these parameters, the influence of addition of 27 wt% CNTs to Propylene Glycol on its viscosity is analyzed. Results show that 3.2 million time-steps with a 0.1 fs time-step size is not sufficient for the system to reach equilibrium state for such calculations. With the available computational resources, a shear velocity of 5 × 10−5 Å/fs was observed to give viscosity value with approximately 43% error as compared to the experimental value. Moreover, the lubricant exhibited a shear thinning behaviour with increasing shear rates. CNTs enhanced the lubricant's viscosity by 100-190% depending upon the averaging method used for calculation.
- Źródło:
-
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2020, 24, 4; 345-388
1428-6394 - Pojawia się w:
- TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
- Dostawca treści:
- Biblioteka Nauki
Artykuł